[3-(2,3-dimethoxyphenyl)pyrrolidin-1-yl]-(2-methylimidazo[1,2-a]pyridin-6-yl)methanone

C21H23N3O3 — CID 91783433

IUPAC[3-(2,3-dimethoxyphenyl)pyrrolidin-1-yl]-(2-methylimidazo[1,2-a]pyridin-6-yl)methanone
SMILESCOc1cccc(C2CCN(C(=O)c3ccc4nc(C)cn4c3)C2)c1OC
InChIInChI=1S/C21H23N3O3/c1-14-11-24-13-16(7-8-19(24)22-14)21(25)23-10-9-15(12-23)17-5-4-6-18(26-2)20(17)27-3/h4-8,11,13,15H,9-10,12H2,1-3H3
InChIKeyHLDKEVUGVSMBAF-UHFFFAOYSA-N
MW365.43 g/mol
LogP3.29
Rot. Bonds4

About [3-(2,3-dimethoxyphenyl)pyrrolidin-1-yl]-(2-methylimidazo[1,2-a]pyridin-6-yl)methanone

[3-(2,3-dimethoxyphenyl)pyrrolidin-1-yl]-(2-methylimidazo[1,2-a]pyridin-6-yl)methanone (PubChem CID 91783433) has the molecular formula C21H23N3O3 and a molecular weight of 365.43 g/mol. Its IUPAC name is [3-(2,3-dimethoxyphenyl)pyrrolidin-1-yl]-(2-methylimidazo[1,2-a]pyridin-6-yl)methanone.

Molecular Properties

Compound Name[3-(2,3-dimethoxyphenyl)pyrrolidin-1-yl]-(2-methylimidazo[1,2-a]pyridin-6-yl)methanone
PubChem CID91783433
Molecular FormulaC21H23N3O3
Molecular Weight365.43 g/mol
Exact Mass365.17
IUPAC Name[3-(2,3-dimethoxyphenyl)pyrrolidin-1-yl]-(2-methylimidazo[1,2-a]pyridin-6-yl)methanone
SMILESCOc1cccc(C2CCN(C(=O)c3ccc4nc(C)cn4c3)C2)c1OC
InChIInChI=1S/C21H23N3O3/c1-14-11-24-13-16(7-8-19(24)22-14)21(25)23-10-9-15(12-23)17-5-4-6-18(26-2)20(17)27-3/h4-8,11,13,15H,9-10,12H2,1-3H3
InChIKeyHLDKEVUGVSMBAF-UHFFFAOYSA-N
XLogP3.29
TPSA56.07 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.43
LogP ≤ 53.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

(2-methylimidazo[1,2-a]pyridin-6-yl)-(4-methylpiperidin-1-yl)methanone
CID 110704151
[3-(2,3-dimethoxyphenyl)pyrrolidin-1-yl]-(1H-imidazol-5-yl)methanone
CID 90650929
(2-methylimidazo[1,2-a]pyridin-6-yl)-piperidin-1-ylmethanone
CID 110704149
[(3R)-3-(2,3-dimethoxyphenyl)pyrrolidin-1-yl]-(3,5-dimethyl-1H-indol-2-yl)methanone
CID 97148435
[(3R)-3-(2,3-dimethoxyphenyl)pyrrolidin-1-yl]-(6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-3-yl)methanone
CID 99971887
(3R)-3-(2,3-dimethoxyphenyl)-N-[(2-methyl-1,3-thiazol-4-yl)methyl]pyrrolidine-1-carboxamide
CID 126445759
3-[3-(2,3-dimethoxyphenyl)pyrrolidine-1-carbonyl]-1-(4-fluorophenyl)-4-methylpyridin-2-one
CID 172666521
5-[3-(2-methoxyphenyl)pyrrolidine-1-carbonyl]pyridine-2-carboxylic acid
CID 119137424
3-(2,3-dimethoxyphenyl)-N-[3-(3,5-dimethylpyrazol-1-yl)propyl]pyrrolidine-1-carboxamide
CID 119067242
4-(2-methylimidazo[1,2-a]pyridine-6-carbonyl)piperazine-1-carbaldehyde
CID 110704162
(4,4-difluoropiperidin-1-yl)-(2-methylimidazo[1,2-a]pyridin-6-yl)methanone
CID 70734580
1-[2-[(3S)-3-(2,3-dimethoxyphenyl)pyrrolidin-1-yl]-2-oxoethyl]quinoxalin-2-one
CID 97275219

Frequently Asked Questions

What is the IUPAC name of [3-(2,3-dimethoxyphenyl)pyrrolidin-1-yl]-(2-methylimidazo[1,2-a]pyridin-6-yl)methanone?
The IUPAC name of [3-(2,3-dimethoxyphenyl)pyrrolidin-1-yl]-(2-methylimidazo[1,2-a]pyridin-6-yl)methanone (CID 91783433) is [3-(2,3-dimethoxyphenyl)pyrrolidin-1-yl]-(2-methylimidazo[1,2-a]pyridin-6-yl)methanone.
What is the SMILES notation for [3-(2,3-dimethoxyphenyl)pyrrolidin-1-yl]-(2-methylimidazo[1,2-a]pyridin-6-yl)methanone?
The canonical SMILES for [3-(2,3-dimethoxyphenyl)pyrrolidin-1-yl]-(2-methylimidazo[1,2-a]pyridin-6-yl)methanone is COc1cccc(C2CCN(C(=O)c3ccc4nc(C)cn4c3)C2)c1OC.
What is the InChIKey of [3-(2,3-dimethoxyphenyl)pyrrolidin-1-yl]-(2-methylimidazo[1,2-a]pyridin-6-yl)methanone?
The InChIKey is HLDKEVUGVSMBAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23N3O3/c1-14-11-24-13-16(7-8-19(24)22-14)21(25)23-10-9-15(12-23)17-5-4-6-18(26-2)20(17)27-3/h4-8,11,13,15H,9-10,12H2,1-3H3.
What are the key properties of [3-(2,3-dimethoxyphenyl)pyrrolidin-1-yl]-(2-methylimidazo[1,2-a]pyridin-6-yl)methanone?
[3-(2,3-dimethoxyphenyl)pyrrolidin-1-yl]-(2-methylimidazo[1,2-a]pyridin-6-yl)methanone has a molecular weight of 365.43 g/mol, XLogP of 3.29, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(2,3-dimethoxyphenyl)pyrrolidin-1-yl]-(2-methylimidazo[1,2-a]pyridin-6-yl)methanone is sourced from PubChem (CID 91783433), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).